methyl 1-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3(CCCCC3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3(CCCCC3)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-3-4-12-23-18(25)15-9-8-14(13-16(15)19(23)26)17(24)22-21(20(27)28-2)10-6-5-7-11-21/h8-9,13H,3-7,10-12H2,1-2H3,(H,22,24)